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Home > Nitro Compounds > 339276-49-2
339276-49-2 | 2-{3-[(benzenesulfonyl)methyl]-4-nitrophenyl}-2-methyl-1,3-dioxolane
CAS No: 339276-49-2 Catalog No: AG00IQ1G MDL No:MFCD00794651
Product Description
Catalog Number:
AG00IQ1G
Chemical Name:
2-{3-[(benzenesulfonyl)methyl]-4-nitrophenyl}-2-methyl-1,3-dioxolane
CAS Number:
339276-49-2
Molecular Formula:
C17H17NO6S
Molecular Weight:
363.3850
MDL Number:
MFCD00794651
IUPAC Name:
2-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-2-methyl-1,3-dioxolane
InChI:
InChI=1S/C17H17NO6S/c1-17(23-9-10-24-17)14-7-8-16(18(19)20)13(11-14)12-25(21,22)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChI Key:
FHKZHCVRXTZXAM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1CS(=O)(=O)c1ccccc1)C1(C)OCCO1
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.078g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.384g/mol
Monoisotopic Mass:
363.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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